⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11435656 | 0.78 | — | — | |
| SCHEMBL12653411 | 0.74 | — | — | |
| SCHEMBL293967 | 0.73 | — | — | |
| SCHEMBL172298 | 0.70 | — | — | |
| SCHEMBL7944491 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL507468 | 0.67 | — | — | |
| SCHEMBL868601 | 0.67 | — | — | |
| SCHEMBL5654715 | 0.67 | — | — | |
| SCHEMBL1975714 | 0.67 | — | — | |
| SCHEMBL3169485 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632509-B | Phosphine ligands and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds | 赢创运营有限公司 | 2020-07-07 | — | — | CN | disclosed |
| CN-101448845-B | Chiral ligands used in transition metal catalysts for asymmetric addition reactions especially hydrogenation | SOLVIAS AG | 2012-12-12 | — | — | CN | disclosed |
| CN-101448845-A | Chiral ligands used in transition metal catalysts for asymmetric addition reactions especially hydrogenation | SOLVIAS AG (CH) | 2009-06-03 | — | — | CN | disclosed |
| US-7250519-B2 | Method for the production of arylamines | MERCK PATENT GMBH (DE) | 2007-07-31 | — | — | US | disclosed |
| US-20050054854-A1 | Method for the production of arylamines | MERCK PATENT GMBH (DE) | 2005-03-10 | — | — | US | disclosed |
| CN-1582270-A | Method for the production of arylamines | COVION ORGANIC SEMICONDUCTORS (DE) | 2005-02-16 | — | — | CN | disclosed |